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E-8-Methyl-7-dodecen-1-ol acetate

View entire compound with spectra: 1 NMR, and 1 FTIR

E-8-Methyl-7-dodecen-1-ol acetate
SpectraBase Compound ID 9Ec3xaqckgT
InChI InChI=1S/C15H28O2/c1-4-5-11-14(2)12-9-7-6-8-10-13-17-15(3)16/h12H,4-11,13H2,1-3H3/b14-12+
InChIKey KQRDDMDEIBMDFY-WYMLVPIESA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ASRNa2HLvBi
Name E-8-Methyl-7-dodecen-1-ol acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-4-5-11-14(2)12-9-7-6-8-10-13-17-15(3)16/h12H,4-11,13H2,1-3H3/b14-12+
InChIKey KQRDDMDEIBMDFY-WYMLVPIESA-N
Molecular Weight 240.387 g/mol
SMILES C(OCCCCCC\C=C\(CCCC)C)(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952553